N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide

C18H31N3O3S — CID 78848200

IUPACN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCC(C)C
InChIInChI=1S/C18H31N3O3S/c1-6-19-16-11-10-15(25(23,24)21(7-2)8-3)13-17(16)20-18(22)12-9-14(4)5/h10-11,13-14,19H,6-9,12H2,1-5H3,(H,20,22)
InChIKeyPNSGWUFLKPXENK-UHFFFAOYSA-N
MW369.53 g/mol
LogP3.52
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide

N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide (PubChem CID 78848200) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
PubChem CID78848200
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide
SMILESCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCC(C)C
InChIInChI=1S/C18H31N3O3S/c1-6-19-16-11-10-15(25(23,24)21(7-2)8-3)13-17(16)20-18(22)12-9-14(4)5/h10-11,13-14,19H,6-9,12H2,1-5H3,(H,20,22)
InChIKeyPNSGWUFLKPXENK-UHFFFAOYSA-N
XLogP3.52
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]pentanamide;hydrochloride
CID 120558969
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-(methylamino)butanamide
CID 119680561
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylpentanamide
CID 26354245
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 78848230
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
4-amino-N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 119680565
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-methylcyclopropane-1-carboxamide
CID 78848189
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2,4-dimethylbenzamide
CID 78848190
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78848231
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
1-(3,4-dichlorophenyl)-3-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]urea
CID 4839383
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 78852611

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide (CID 78848200) is N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide is CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CCC(C)C.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide?
The InChIKey is PNSGWUFLKPXENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-6-19-16-11-10-15(25(23,24)21(7-2)8-3)13-17(16)20-18(22)12-9-14(4)5/h10-11,13-14,19H,6-9,12H2,1-5H3,(H,20,22).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide?
N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide has a molecular weight of 369.53 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(ethylamino)phenyl]-4-methylpentanamide is sourced from PubChem (CID 78848200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).